Identità

Upadacitinib Impurity 44

Non indicato · C19H23F3N6O

01Identità

Lazychem IDLC-32761
CAS RNNon indicato
PubChem CID171935247
Molecular formulaC19H23F3N6O
Molecular weight408.4 g/mol
IUPAC name(3S,4R)-3-ethyl-4-(5-ethyl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
InChIKeyTVDDFNDPCGZJIT-OLZOCXBDSA-N

02Struttura e stereochimica

2D structurePubChem CID 171935247
Two-dimensional chemical structure of Upadacitinib Impurity 44
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.
SMILESCC[C@@H]1CN(C[C@@H]1C2=CN=C3N2C4=C(N=C3)N(C=C4)CC)C(=O)NCC(F)(F)F
InChINon indicato

03Stereochemistry

The published structure contains 2 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres2Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 4Before symmetry reduction

Published same-connectivity configurations

1 record

These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.

No additional structure-linked configuration with the same connectivity is currently present in the LazyChem dataset.

Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.

04Stato in India

Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.

05Nomi e relazioni

API e farmaco progenitore

Non indicato

Nomi e relazioni

    Impurezze e composti correlati

      06Fonti